1,3-benzodioxol-5-ylmethyl-methyl-[2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxo-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-[4-(4-morpholin-4-iumylmethyl)anilino]-2-oxoethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium Traditional Name: [2-keto-2-[4-(morpholin-4-ium-4-ylmethyl)anilino]ethyl]-methyl-piperonyl-ammonium Formula: C22H29N3O4+2 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=CC=C(C=C3)C[NH+]4CCOCC4

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=CC=C(C=C3)C[NH+]4CCOCC4

InChI

InChI=1S/C22H27N3O4/c1-24(13-18-4-7-20-21(12-18)29-16-28-20)15-22(26)23-19-5-2-17(3-6-19)14-25-8-10-27-11-9-25/h2-7,12H,8-11,13-16H2,1H3,(H,23,26)/p+2